CID 279099

Nsc129362

Structural Information

Molecular Formula

C₁₄H₁₅NO₄

SMILES

CCOC(=O)C1C(N(C(=O)C1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO4/c1-3-19-14(18)10-11(9-7-5-4-6-8-9)15(2)13(17)12(10)16/h4-8,10-11H,3H2,1-2H3

InChIKey

KJDJDOWKPSGGBD-UHFFFAOYSA-N

Compound name

ethyl 1-methyl-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 261.1001 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.107376	156.3
[M+Na]+	284.089318	164.8
[M-H]-	260.092824	162.3
[M+NH4]+	279.133923	173.8
[M+K]+	300.063258	162.4
[M+H-H2O]+	244.097360	149.4
[M+HCOO]-	306.098301	177.8
[M+CH3COO]-	320.113951	195.9
[M+Na-2H]-	282.074766	156.3
[M]+	261.09955142	158.4
[M]-	261.10064858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.